N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-nitro-2-(phenylmethyl)phenoxy]ethanamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-nitro-2-(phenylmethyl)phenoxy]ethanamide Openeye Name: 2-(2-benzyl-4-nitro-phenoxy)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[4-nitro-2-(phenylmethyl)phenoxy]acetamide IUPAC Name: 2-(2-benzyl-4-nitrophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide Traditional Name: 2-(2-benzyl-4-nitro-phenoxy)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide Formula: C26H24N4O4 MolecularWeight: 456.49316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=C(C=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C26H24N4O4/c1-18-26(19(2)29(28-18)22-11-7-4-8-12-22)27-25(31)17-34-24-14-13-23(30(32)33)16-21(24)15-20-9-5-3-6-10-20/h3-14,16H,15,17H2,1-2H3,(H,27,31)